7-cyclopropyl-2-methoxy-6-nitroquinazoline

C12H11N3O3 — CID 151315865

IUPAC7-cyclopropyl-2-methoxy-6-nitroquinazoline
SMILESCOc1ncc2cc([N+](=O)[O-])c(C3CC3)cc2n1
InChIInChI=1S/C12H11N3O3/c1-18-12-13-6-8-4-11(15(16)17)9(7-2-3-7)5-10(8)14-12/h4-7H,2-3H2,1H3
InChIKeyOFKHGSOBELQRCY-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.42
Rot. Bonds3

About 7-cyclopropyl-2-methoxy-6-nitroquinazoline

7-cyclopropyl-2-methoxy-6-nitroquinazoline (PubChem CID 151315865) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 7-cyclopropyl-2-methoxy-6-nitroquinazoline.

Molecular Properties

Compound Name7-cyclopropyl-2-methoxy-6-nitroquinazoline
PubChem CID151315865
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name7-cyclopropyl-2-methoxy-6-nitroquinazoline
SMILESCOc1ncc2cc([N+](=O)[O-])c(C3CC3)cc2n1
InChIInChI=1S/C12H11N3O3/c1-18-12-13-6-8-4-11(15(16)17)9(7-2-3-7)5-10(8)14-12/h4-7H,2-3H2,1H3
InChIKeyOFKHGSOBELQRCY-UHFFFAOYSA-N
XLogP2.42
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-2-methoxy-6-nitroquinazoline?
The IUPAC name of 7-cyclopropyl-2-methoxy-6-nitroquinazoline (CID 151315865) is 7-cyclopropyl-2-methoxy-6-nitroquinazoline.
What is the SMILES notation for 7-cyclopropyl-2-methoxy-6-nitroquinazoline?
The canonical SMILES for 7-cyclopropyl-2-methoxy-6-nitroquinazoline is COc1ncc2cc([N+](=O)[O-])c(C3CC3)cc2n1.
What is the InChIKey of 7-cyclopropyl-2-methoxy-6-nitroquinazoline?
The InChIKey is OFKHGSOBELQRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-18-12-13-6-8-4-11(15(16)17)9(7-2-3-7)5-10(8)14-12/h4-7H,2-3H2,1H3.
What are the key properties of 7-cyclopropyl-2-methoxy-6-nitroquinazoline?
7-cyclopropyl-2-methoxy-6-nitroquinazoline has a molecular weight of 245.24 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-2-methoxy-6-nitroquinazoline is sourced from PubChem (CID 151315865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).